1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole

C15H25N3 — CID 11694460

IUPAC1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole
SMILESCn1c(CN2CCCC2)ccc1CN1CCCC1
InChIInChI=1S/C15H25N3/c1-16-14(12-17-8-2-3-9-17)6-7-15(16)13-18-10-4-5-11-18/h6-7H,2-5,8-13H2,1H3
InChIKeyWATLZODUFIUWHT-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.22
Rot. Bonds4

About 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole

1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole (PubChem CID 11694460) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole.

Molecular Properties

Compound Name1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole
PubChem CID11694460
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole
SMILESCn1c(CN2CCCC2)ccc1CN1CCCC1
InChIInChI=1S/C15H25N3/c1-16-14(12-17-8-2-3-9-17)6-7-15(16)13-18-10-4-5-11-18/h6-7H,2-5,8-13H2,1H3
InChIKeyWATLZODUFIUWHT-UHFFFAOYSA-N
XLogP2.22
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole?
The IUPAC name of 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole (CID 11694460) is 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole.
What is the SMILES notation for 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole?
The canonical SMILES for 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole is Cn1c(CN2CCCC2)ccc1CN1CCCC1.
What is the InChIKey of 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole?
The InChIKey is WATLZODUFIUWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-16-14(12-17-8-2-3-9-17)6-7-15(16)13-18-10-4-5-11-18/h6-7H,2-5,8-13H2,1H3.
What are the key properties of 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole?
1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole has a molecular weight of 247.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-bis(pyrrolidin-1-ylmethyl)pyrrole is sourced from PubChem (CID 11694460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).